Chlorine in PDB 6ch4: Aminoglycoside Phosphotransferase (2'')-Ia S376N Mutant in Complex with Gmppnp and Magnesium

Enzymatic activity of Aminoglycoside Phosphotransferase (2'')-Ia S376N Mutant in Complex with Gmppnp and Magnesium

All present enzymatic activity of Aminoglycoside Phosphotransferase (2'')-Ia S376N Mutant in Complex with Gmppnp and Magnesium:
2.7.1.190;

Protein crystallography data

The structure of Aminoglycoside Phosphotransferase (2'')-Ia S376N Mutant in Complex with Gmppnp and Magnesium, PDB code: 6ch4 was solved by S.J.Caldwell, A.M.Berghuis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	58.89 / 2.30
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	90.430, 99.910, 93.200, 90.00, 105.17, 90.00
*R / R_free (%)*	17 / 21

Other elements in 6ch4:

The structure of Aminoglycoside Phosphotransferase (2'')-Ia S376N Mutant in Complex with Gmppnp and Magnesium also contains other interesting chemical elements:

Magnesium

(Mg)

7 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Aminoglycoside Phosphotransferase (2'')-Ia S376N Mutant in Complex with Gmppnp and Magnesium (pdb code 6ch4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Aminoglycoside Phosphotransferase (2'')-Ia S376N Mutant in Complex with Gmppnp and Magnesium, PDB code: 6ch4:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 6ch4

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Chlorine Binding Sites List in 6ch4

Chlorine binding site 1 out of 3 in the Aminoglycoside Phosphotransferase (2'')-Ia S376N Mutant in Complex with Gmppnp and Magnesium

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Aminoglycoside Phosphotransferase (2'')-Ia S376N Mutant in Complex with Gmppnp and Magnesium within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl802 b:79.3 occ:1.00	NE2	A:GLN462	3.1	72.7	1.0
	O	A:HOH1107	3.3	69.3	1.0
	NH1	A:ARG469	3.4	53.2	1.0
	CG2	A:ILE465	3.8	50.3	1.0
	N	A:GLU466	3.9	48.2	1.0
	CA	A:GLU466	3.9	53.8	1.0
	CD	A:ARG469	4.0	46.6	1.0
	CB	A:GLU466	4.0	61.2	1.0
	CG	A:GLU466	4.2	69.9	1.0
	CD	A:GLN462	4.2	73.2	1.0
	CZ	A:ARG469	4.3	47.5	1.0
	C	A:ILE465	4.3	48.1	1.0
	CB	A:ILE465	4.4	50.1	1.0
	NE	A:ARG469	4.5	46.4	1.0
	CG	A:GLN462	4.6	72.6	1.0
	O	A:ILE465	4.7	46.8	1.0
	O	A:GLN462	4.7	62.3	1.0
	O	A:HOH1049	4.9	57.0	1.0

Chlorine binding site 2 out of 3 in 6ch4

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Chlorine Binding Sites List in 6ch4

Chlorine binding site 2 out of 3 in the Aminoglycoside Phosphotransferase (2'')-Ia S376N Mutant in Complex with Gmppnp and Magnesium

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Aminoglycoside Phosphotransferase (2'')-Ia S376N Mutant in Complex with Gmppnp and Magnesium within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Cl802 b:75.0 occ:1.00	NE2	B:GLN462	3.0	67.5	1.0
	NH1	B:ARG469	3.4	44.1	1.0
	O	B:HOH1107	3.4	56.6	1.0
	O	B:HOH1049	3.5	64.8	1.0
	CG2	B:ILE465	3.6	44.8	1.0
	CG	B:GLU466	3.6	69.6	1.0
	CD	B:ARG469	3.9	39.9	1.0
	N	B:GLU466	4.1	49.5	1.0
	CA	B:GLU466	4.2	57.6	1.0
	CD	B:GLN462	4.3	69.6	1.0
	CZ	B:ARG469	4.3	43.4	1.0
	CB	B:ILE465	4.3	43.9	1.0
	CB	B:GLU466	4.5	64.7	1.0
	C	B:ILE465	4.5	47.6	1.0
	NE	B:ARG469	4.5	41.4	1.0
	O	B:ILE465	4.8	49.9	1.0
	CG	B:GLN462	4.8	69.3	1.0
	CD	B:GLU466	4.8	83.5	1.0
	O	B:GLN462	5.0	61.6	1.0

Chlorine binding site 3 out of 3 in 6ch4

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Chlorine Binding Sites List in 6ch4

Chlorine binding site 3 out of 3 in the Aminoglycoside Phosphotransferase (2'')-Ia S376N Mutant in Complex with Gmppnp and Magnesium

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Aminoglycoside Phosphotransferase (2'')-Ia S376N Mutant in Complex with Gmppnp and Magnesium within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
C:Cl802 b:71.0 occ:1.00	NE2	C:GLN462	3.2	60.0	1.0
	NH1	C:ARG469	3.4	39.0	1.0
	CG2	C:ILE465	3.8	37.5	1.0
	N	C:GLU466	3.8	39.9	1.0
	CA	C:GLU466	3.9	43.1	1.0
	CD	C:ARG469	3.9	32.8	1.0
	CB	C:GLU466	4.0	50.0	1.0
	O	C:HOH1049	4.2	62.8	1.0
	C	C:ILE465	4.3	37.4	1.0
	CZ	C:ARG469	4.3	35.9	1.0
	CG	C:GLU466	4.4	62.7	1.0
	CD	C:GLN462	4.4	63.2	1.0
	CB	C:ILE465	4.4	36.7	1.0
	NE	C:ARG469	4.5	32.2	1.0
	O	C:ILE465	4.6	36.0	1.0
	CG	C:GLN462	4.7	61.8	1.0
	O	C:GLN462	4.7	44.9	1.0

Reference:

S.J.Caldwell, A.M.Berghuis. Plasticity of Aminoglycoside Binding to Antibiotic Kinase Aph(2′′)-Ia. Antimicrob. Agents V. 62 2018CHEMOTHER..
ISSN: ESSN 1098-6596
PubMed: 29661878
DOI: 10.1128/AAC.00202-18

Page generated: Fri Jul 26 23:29:34 2024

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